I36
Summary
Name: | (2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid |
Formula: | C15 H28 N6 O6 |
Formal charge: | 0 |
Formula weight: | 388.419 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C15H28N6O6/c1-7(15(26)27)20-14(25)10(4-2-3-8(16)12(18)23)21-11(22)6-5-9(17)13(19)24/h7-10H,2-6,16-17H2,1H3,(H2,18,23)(H2,19,24)(H,20,25)(H,21,22)(H,26,27)/t7-,8-,9-,10+/m1/s1 |
InChIKey | InChI | 1.06 | CJJCRMCFCZMAJA-KYXWUPHJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(N)=O)NC(=O)CC[C@@H](N)C(N)=O)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](CCC[CH](N)C(N)=O)NC(=O)CC[CH](N)C(N)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)N)N)NC(=O)CC[C@H](C(=O)N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)NC(=O)C(CCCC(C(=O)N)N)NC(=O)CCC(C(=O)N)N |